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CAS 422-64-0 Pentafluoropropionic Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] molecular structure lightbox
CAS RN: 422-64-0

Pentafluoropropionic Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS]

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250404 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260304 1kg In stock Shanghai Inquiry
Batchno.20250809 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250830 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250304 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-150530
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 422-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Beijing Inquiry

422-64-0 / 2,2,3,3,3-pentafluoropropanoic acid

Standard CAS: 422-64-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
422-64-0
Multi CAS
Yes
Molecular Formula
C3F5HO2
Molecular Weight
164.030000
Exact Mass
163.989670
InChI
InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.64
TPSA
37.3

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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